⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6282193 | 0.84 | — | — | |
| SCHEMBL4273142 | 0.73 | — | — | |
| SCHEMBL575185 | 0.73 | TSHR (0.71) | — | |
| SCHEMBL388425 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL9049883 | 0.71 | TSHR (0.67) | — | |
| SCHEMBL6070732 | 0.71 | TSHR (0.50) | — | |
| Fluoride SCHEMBL28903894 | 0.71 | TSHR (0.67) | — | |
| SCHEMBL20261798 | 0.71 | TSHR (0.67) | — | |
| Triethyl Phosphate SCHEMBL3850859 | 0.71 | TSHR (0.77) | — | |
| SCHEMBL20261836 | 0.71 | TSHR (0.67) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030212120-A1 | Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders | AXYS PHARMACEUTICALS, INC. (US) | 2003-11-13 | — | — | US | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| US-6562854-B2 | Antiinflammatory agents; respiratory system disorders | AXYS PHARMACEUTICALS, INC. | 2003-05-13 | — | — | US | disclosed |
| US-20010053779-A1 | Novel compounds and compositions for treating diseases asociated with protease activity | Celera Corporation | 2001-12-20 | — | — | US | disclosed |
| US-6150379-A | BLOOD COAGULATION FACTOR XA INHIBITORS; TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE ACTIVITY; THROMBOLYTIC AND ISCHEMIC AGENTS; E.G., 2-(6-(5-AMIDINO-1H-BENZIMIDAZOL-2-YL)-PYRID-3-YLCARBONYLAMINO)-3 -HYDROXYBUTYRIC ACID | AXYS PHARMACEUTICALS, INC. (US) | 2000-11-21 | — | — | US | disclosed |
| EP-1019382-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY | AXYS PHARMACEUTICALS, INC. (US) | 2000-07-19 | — | — | EP | disclosed |
| WO-1999026932-A1 | BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS | AXYS PHARMACEUTICALS, INC. (US) | 1999-06-03 | — | — | WO | disclosed |
| WO-1999026941-A1 | SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS | AXYS PHARMACEUTICALS, INC. (US) | 1999-06-03 | — | — | WO | disclosed |
| WO-1999026933-A1 | SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS | AXYS PHARMACEUTICALS, INC. (US) | 1999-06-03 | — | — | WO | disclosed |
| WO-1998045275-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY | AXYS PHARMACEUTICALS CORPORATION (US) | 1998-10-15 | — | — | WO | disclosed |